Pseudo-time-coupled nonlinear models for biomolecular surface representation and solvation analysis

DOI10.1002/cnm.1450zbMath1241.92007OpenAlexW2100632623MaRDI QIDQ2893187

Shan Zhao

Publication date: 26 June 2012

Published in: International Journal for Numerical Methods in Biomedical Engineering (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1002/cnm.1450

zbMATH Keywords

Boltzmann equationmultiscale modelssolvation free energypotential driving geometric flowsbiological surface formation and evolutiongeneralized nonlinear Poisson

Mathematics Subject Classification ID

Variational methods applied to PDEs (35A15) PDEs in connection with biology, chemistry and other natural sciences (35Q92) Biophysics (92C05) Numerical methods for partial differential equations, initial value and time-dependent initial-boundary value problems (65M99)

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Cites Work

• Differential geometry based solvation model. I: Eulerian formulation
• Differential geometry based solvation model II: Lagrangian formulation
• Differential geometry based multiscale models
• Geometric and potential driving formation and evolution of biomolecular surfaces
• High order matched interface and boundary methods for the Helmholtz equation in media with arbitrarily curved interfaces
• Continuum solvation model: Computation of electrostatic forces from numerical solutions to the Poisson-Boltzmann equation
• High order matched interface and boundary method for elliptic equations with discontinuous coefficients and singular sources
• Quality meshing of implicit solvation models of biomolecular structures
• Discrete surface modelling using partial differential equations